4-[[(E)-3-[3-chloranyl-5-ethoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-[3-chloranyl-5-ethoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-[3-chloro-5-ethoxy-4-(2-methoxy-2-oxo-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[3-chloro-5-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-[3-chloro-5-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[3-chloro-5-ethoxy-4-(2-keto-2-methoxy-ethoxy)phenyl]-2-cyano-acryloyl]amino]benzoate Formula: C22H18ClN2O7- MolecularWeight: 457.84052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])Cl)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])Cl)OCC(=O)OC

InChI

InChI=1S/C22H19ClN2O7/c1-3-31-18-10-13(9-17(23)20(18)32-12-19(26)30-2)8-15(11-24)21(27)25-16-6-4-14(5-7-16)22(28)29/h4-10H,3,12H2,1-2H3,(H,25,27)(H,28,29)/p-1/b15-8+